CID 43559172

1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC(C1)(C2=NOC=N2)N
InChI
InChI=1S/C6H9N3O/c7-6(2-1-3-6)5-8-4-10-9-5/h4H,1-3,7H2
InChIKey
JELQPVSROGURLI-UHFFFAOYSA-N
Compound name
1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 122.6
[M+Na]+ 162.063768 129.3
[M-H]- 138.067274 127.0
[M+NH4]+ 157.108373 136.7
[M+K]+ 178.037708 132.3
[M+H-H2O]+ 122.071810 111.0
[M+HCOO]- 184.072751 144.2
[M+CH3COO]- 198.088401 175.2
[M+Na-2H]- 160.049216 130.7
[M]+ 139.07400142 129.5
[M]- 139.07509858 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.